SCHEMBL15316016

SCHEMBL15316016

c1ccc(-c2nccn2-c2c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 9/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD11B1 P28845 1/20 0.37
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
P2RX4 Q99571 1/20 0.34
ACVR1 Q04771 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPY5R Q15761 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15316044 0.86 MAPK9 (0.34) KDRMAPK9MAPK10HSD11B1PTGER4
SCHEMBL15315999 0.86 KDM4E (0.43) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL15316066 0.86 KDM4E (0.32) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL10035825 0.85 KDM4E (0.40) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL15315997 0.84 MAPK9 (0.35) KDRMAPK9MAPK10HSD11B1FLT1
SCHEMBL15746045 0.82 MAPK9 (0.43) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL17506769 0.81 MAPK9 (0.43) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL23072423 0.81 KDM4E (0.42) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL15316000 0.80 KDM4E (0.44) KDM4EATML3MBTL1KDRMAPK9
SCHEMBL15746040 0.80 MAPK9 (0.41) KDM4EATML3MBTL1KDRMAPK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L KDM4E 825/4885ATM 2481/4885L3MBTL1 707/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.